Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 3/20 | 0.34 |
| ▸ | IL1RN | P18510 | 2/20 | 0.34 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.34 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23096934 | 0.85 | KDM1A (0.34) | ALDH1A1HSD17B10CYP2A6KDM1AMAOB | |
| SCHEMBL29805714 | 0.71 | KDM1A (0.32) | KDM1AMAOB | |
| SCHEMBL24633078 | 0.71 | CFTR (0.31) | ALDH1A1 | |
| SCHEMBL24734297 | 0.68 | MAOB (0.32) | KDM1AMAOB | |
| SCHEMBL21363295 | 0.68 | ALDH1A1 (0.36) | ALDH1A1HPGDMAOBLMNA | |
| SCHEMBL23241826 | 0.68 | — | — | |
| SCHEMBL13782279 | 0.67 | CFTR (0.31) | ALDH1A1 | |
| SCHEMBL15948339 | 0.67 | CYP3A4 (0.41) | ALDH1A1RAB9A | |
| SCHEMBL9978052 | 0.67 | CFTR (0.31) | ALDH1A1 | |
| SCHEMBL30139970 | 0.67 | CYP3A4 (0.33) | ALDH1A1RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3896073-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2021-10-20 | — | — | EP | disclosed |